Half-metallic ferromagnetism in the Ti 2CoGe heusler compound
Journal of Electronic Materials, cilt.41, sa.7, ss.1978-1981, 2012 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 41 Sayı: 7
- Basım Tarihi: 2012
- Doi Numarası: 10.1007/s11664-012-1968-y
- Dergi Adı: Journal of Electronic Materials
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.1978-1981
- Anahtar Kelimeler: electronic band structure, half-metallic ferromagnet, Heusler compounds, Magnetically ordered materials
- Ankara Hacı Bayram Veli Üniversitesi Adresli: Hayır
Özet
Using first-principles calculations based on density functional theory, we predict the half-metallic ferromagnetism of the Ti 2CoGe Heusler compound with the CuHg 2Ti-type structure. The electronic band structures and density of states of the Ti 2CoGe compound show that the spin-up electrons are metallic, but the spin-down bands are semiconducting with a gap of 0.61 eV, and the spin-flip gap is 0.58 eV. The Ti 2CoGe Heusler compound is half-metallic ferromagnetic with magnetic moment of 3μ B at the equilibrium lattice constant a = 6.11 Å, which agrees with the Slater-Pauling rule. © 2012 TMS.